Iron in PDB 4ysl: Crystal Structure of Sdoa From Pseudomonas Putida in Complex with Glutathione

The structure of Crystal Structure of Sdoa From Pseudomonas Putida in Complex with Glutathione, PDB code: 4ysl was solved by S.A.Sattler, X.Wang, P.J.Dehan, L.Xun, C.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.46 / 1.46
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	79.625, 79.625, 93.949, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.4

The binding sites of Iron atom in the Crystal Structure of Sdoa From Pseudomonas Putida in Complex with Glutathione (pdb code 4ysl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Sdoa From Pseudomonas Putida in Complex with Glutathione, PDB code: 4ysl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Sdoa From Pseudomonas Putida in Complex with Glutathione


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Sdoa From Pseudomonas Putida in Complex with Glutathione within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe301 b:22.8 occ:0.86 OD2 A:ASP170 2.1 21.5 1.0 O A:HOH593 2.1 28.2 1.0 O A:HOH426 2.2 24.6 1.0 NE2 A:HIS74 2.2 19.0 1.0 NE2 A:HIS149 2.4 21.8 1.0 SG2 A:GSH302 2.4 35.0 1.0 CG A:ASP170 3.1 21.9 1.0 CE1 A:HIS74 3.2 17.7 1.0 CD2 A:HIS74 3.2 20.7 1.0 CD2 A:HIS149 3.3 19.2 1.0 CE1 A:HIS149 3.3 20.4 1.0 CB2 A:GSH302 3.5 30.4 0.5 CB A:ASP170 3.6 17.4 1.0 OD1 A:ASP170 4.2 18.1 1.0 OD1 A:ASP78 4.3 28.3 1.0 O A:HOH437 4.3 32.6 1.0 ND1 A:HIS74 4.3 20.8 1.0 CG A:HIS74 4.4 18.4 1.0 CE1 A:HIS212 4.4 19.0 1.0 CG A:HIS149 4.4 17.7 1.0 ND1 A:HIS149 4.4 19.1 1.0 ND1 A:HIS76 4.4 19.1 1.0 N A:ALA77 4.5 19.5 1.0 CA A:HIS76 4.7 20.1 1.0 ND1 A:HIS212 4.9 20.4 1.0 CA2 A:GSH302 4.9 38.0 0.5

Iron binding site 2 out of 2 in the Crystal Structure of Sdoa From Pseudomonas Putida in Complex with Glutathione


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Sdoa From Pseudomonas Putida in Complex with Glutathione within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:23.3 occ:0.87 OD2 B:ASP170 2.0 21.0 1.0 O B:HOH586 2.1 28.1 1.0 NE2 B:HIS74 2.2 19.6 1.0 O B:HOH421 2.2 25.0 1.0 NE2 B:HIS149 2.4 21.3 1.0 SG2 B:GSH302 2.4 33.0 0.9 CG B:ASP170 3.1 21.8 1.0 CD2 B:HIS74 3.2 21.5 1.0 CE1 B:HIS74 3.2 17.7 1.0 CD2 B:HIS149 3.3 19.5 1.0 CE1 B:HIS149 3.3 19.9 1.0 CB2 B:GSH302 3.5 37.9 0.9 CB B:ASP170 3.5 17.1 1.0 O B:HOH455 4.2 34.9 1.0 OD1 B:ASP78 4.2 28.7 1.0 OD1 B:ASP170 4.2 18.5 1.0 ND1 B:HIS74 4.3 20.7 1.0 CG B:HIS74 4.3 19.7 1.0 CE1 B:HIS212 4.4 19.8 1.0 ND1 B:HIS76 4.4 19.2 1.0 CG B:HIS149 4.4 17.5 1.0 ND1 B:HIS149 4.4 18.9 1.0 N B:ALA77 4.5 19.0 1.0 CA B:HIS76 4.7 19.1 1.0 CA2 B:GSH302 4.8 31.1 0.5 ND1 B:HIS212 4.8 21.4 1.0

S.A.Sattler, X.Wang, K.M.Lewis, P.J.Dehan, C.M.Park, Y.Xin, H.Liu, M.Xian, L.Xun, C.Kang. Characterizations of Two Bacterial Persulfide Dioxygenases of the Metallo-Beta-Lactamase Superfamily. J.Biol.Chem. V. 290 18914 2015.
ISSN: ESSN 1083-351X
PubMed: 26082492
DOI: 10.1074/JBC.M115.652537